1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol

C12H16Br3NO2 — CID 60900042

IUPAC1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol
SMILESCC(C)OCC(O)CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H16Br3NO2/c1-7(2)18-6-9(17)5-16-12-10(14)3-8(13)4-11(12)15/h3-4,7,9,16-17H,5-6H2,1-2H3
InChIKeyKCMCQHHUBMACFT-UHFFFAOYSA-N
MW445.98 g/mol
LogP4.17
Rot. Bonds6

About 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol

1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol (PubChem CID 60900042) has the molecular formula C12H16Br3NO2 and a molecular weight of 445.98 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol
PubChem CID60900042
Molecular FormulaC12H16Br3NO2
Molecular Weight445.98 g/mol
Exact Mass442.87
IUPAC Name1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol
SMILESCC(C)OCC(O)CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C12H16Br3NO2/c1-7(2)18-6-9(17)5-16-12-10(14)3-8(13)4-11(12)15/h3-4,7,9,16-17H,5-6H2,1-2H3
InChIKeyKCMCQHHUBMACFT-UHFFFAOYSA-N
XLogP4.17
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.98
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(2,4,6-tribromoanilino)propane-1,2-diol
CID 61142582
1-(3-bromoanilino)-3-propan-2-yloxypropan-2-ol
CID 60898175
1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 63488175
1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 107611301
1-[(6-bromonaphthalen-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 81260100
1-(4-bromo-2-fluoroanilino)-3-propan-2-yloxypropan-2-ol
CID 60897126
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
2-methyl-3-(2,4,6-tribromoanilino)propanoic acid
CID 43538626
1-[(4-bromothiophen-2-yl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60971110
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 113442189

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol?
The IUPAC name of 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol (CID 60900042) is 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol.
What is the SMILES notation for 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol?
The canonical SMILES for 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol is CC(C)OCC(O)CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol?
The InChIKey is KCMCQHHUBMACFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br3NO2/c1-7(2)18-6-9(17)5-16-12-10(14)3-8(13)4-11(12)15/h3-4,7,9,16-17H,5-6H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol?
1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol has a molecular weight of 445.98 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol is sourced from PubChem (CID 60900042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).